Struct Linear 

pub struct Linear<V> {
    pub alpha: f64,
    pub plane_origin: V,
    pub plane_normal: Unit<V>,
}

Linear potential based on position.

U = \alpha \cdot \vec{n} \cdot ( \vec{r} - \vec{p} )

Computes a linear external potential at a point in space relative to the plane origin p, plane normal n, and the interaction strength alpha.

Example

Basic usage:

use hoomd_interaction::external::Linear;
use hoomd_vector::{Cartesian, Unit};

let linear = Linear {
    alpha: 2.0,
    plane_origin: [0.0, -10.0].into(),
    plane_normal: [0.0, 1.0].try_into()?,
};

Fields

alpha: f64

Interaction strength ([energy] [length]^(-1)).

plane_origin: V

Point on the plane where U=0 ([length]).

plane_normal: Unit<V>

Vector normal to the plane (unitless).

Implementations

impl<V> Linear<V>

where V: InnerProduct,

pub fn energy(&self, r: &V) -> f64

Compute the energy of a point in the linear field.

Example

use hoomd_interaction::external::Linear;
use hoomd_vector::{Cartesian, Unit};

let linear = Linear {
    alpha: 2.0,
    plane_origin: [0.0, -10.0].into(),
    plane_normal: [0.0, 1.0].try_into()?,
};

let energy = linear.energy(&[0.0, 0.0].into());
assert_eq!(energy, 20.0);

Trait Implementations

impl<V: Clone> Clone for Linear<V>

fn clone(&self) -> Linear<V>

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl<V: Debug> Debug for Linear<V>

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl<'de, V> Deserialize<'de> for Linear<V>

where V: Deserialize<'de>,

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl<V: PartialEq> PartialEq for Linear<V>

fn eq(&self, other: &Linear<V>) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl<V> Serialize for Linear<V>

where V: Serialize,

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl<S, P> SiteEnergy<S> for Linear<P>

where S: Position<Position = P>, P: InnerProduct,

fn site_energy(&self, site_properties: &S) -> f64

Evaluate the energy contribution of a single site.

fn site_energy_initial(&self, site_properties: &S) -> f64

Evaluate the energy contribution of a single site in the initial state.

fn is_only_infinite_or_zero() -> bool

Does this potential only ever return infinity or zero?

impl<V> StructuralPartialEq for Linear<V>